General Information of the Compound
| Compound ID |
CP0452758
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| Compound Name |
N-[(1S)-1-[2-[1-[(3R,4S)-1-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
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| Structure |
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| Formula |
C32H40ClF4N3O2
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| Molecular Weight |
610.136
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| Canonical SMILES |
CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1F)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C32H40ClF4N3O2/c1-6-29(38-19(2)41)25-16-22(33)8-10-23(25)20-11-13-39(14-12-20)30(42)27-18-40(31(3,4)5)17-26(27)24-9-7-21(15-28(24)34)32(35,36)37/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,38,41)/t26-,27+,29+/m1/s1
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| InChIKey |
JOPLEQJQVLGYIT-XQFUHLNNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound